Bioactive Compound Details

BioIDbio3242
NamePITOLISANT HYDROCHLORIDE
ChEMBL IDCHEMBL4164059
Molecular FormulaC17H27Cl2NO
Molecular Weight332.31
Molecular Weight (Monoisotopic)295.1703
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCIPROXIDINE|Ozawade|PITOLISANT HYDROCHLORIDE|WAKIX
SmilesCl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
InchiInChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
Inchi KeyXLFKECRRMPOAQS-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets71.0
Bioactivities113.0
Np Likeness Score-1.15
Records Key['BF2.649', 'Pitolisant hydrochloride', 'XII', 'PITOLISANT HYDROCHLORIDE', 'PITOLISANT HYDROCHLORIDE', 'PITOLISANT HYDROCHLORIDE', 'BF2.649', 'BF2.649', 'EUB0000475aCl', 'EUB0000475aCl', 'EUB0000475aCl', 'EUB0000475aCl', 'EUB0000475aCl', 'PITOLISANT HYDROCHLORIDE']
Records Name['BF2.649', 'Pitolisant hydrochloride', 'Pitolisant hydrochloride', 'PITOLISANT HYDROCHLORIDE', 'PITOLISANT HYDROCHLORIDE', 'PITOLISANT HYDROCHLORIDE', 'BF2.649', 'BF2.649', 'PITOLISANT', 'PITOLISANT', 'PITOLISANT', 'PITOLISANT', 'PITOLISANT', 'PITOLISANT HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure